Information card for entry 1100584

Structure parameters

• Formula: C24 H30 N2 O5
• Calculated formula: C24 H30 N2 O5
• SMILES: N1C[C@@]2(C[C@](C[C@](C1=O)(C2)C)(C)C(=O)Oc1cc(ccc1)[C@@H]1O[C@H]2[C@@H]1NC(=O)CC2)C.N1C[C@]2(C[C@@](C[C@@](C1=O)(C2)C)(C)C(=O)Oc1cc(ccc1)[C@H]1O[C@@H]2[C@H]1NC(=O)CC2)C
• Title of publication: High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding
• Authors of publication: Bach, Thorsten; Bergmann, Hermann; Harms, Klaus
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 10650 - 10651
• a: 8.145 ± 0.001 Å
• b: 11.17 ± 0.001 Å
• c: 13.241 ± 0.001 Å
• α: 105.19 ± 0.01°
• β: 106.46 ± 0.01°
• γ: 101.38 ± 0.01°
• Cell volume: 1065.85 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No